Compound Detail
CHEMBL203732
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Basic Information
| ChEMBL ID | CHEMBL203732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSEBFHRZNPGODU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.36
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 8.91 | 8.91 | 1.2 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 8.84 | 8.84 | 1.4 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 8.56 | 8.56 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 1.24 | nM | 8.91 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha5 receptor plus... | 16386900 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 1.45 | nM | 8.84 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus... | 16386900 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 2.3 | nM | 8.64 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha2 receptor plus... | 16386900 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 2.77 | nM | 8.56 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha3 receptor plus... | 16386900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16386900 | 10.1016/j.bmcl.2005.12.044 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 16386900 | 10.1016/j.bmcl.2005.12.044 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
| 16386900 | 10.1016/j.bmcl.2005.12.044 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 16386900 | 10.1016/j.bmcl.2005.12.044 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine